N,N-dimethyl-4-[[4-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,5-triazin-2-yl]oxy]benzamide

C23H23N7O3 — CID 122658882

IUPACN,N-dimethyl-4-[[4-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,5-triazin-2-yl]oxy]benzamide
SMILESCN(C)C(=O)c1ccc(Oc2nc(-c3ccnc4[nH]ccc34)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C23H23N7O3/c1-29(2)21(31)15-3-5-16(6-4-15)33-23-27-20(18-8-10-25-19-17(18)7-9-24-19)26-22(28-23)30-11-13-32-14-12-30/h3-10H,11-14H2,1-2H3,(H,24,25)
InChIKeyOQHLRBUFWDMIIG-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.75
Rot. Bonds5

About N,N-dimethyl-4-[[4-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,5-triazin-2-yl]oxy]benzamide

N,N-dimethyl-4-[[4-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,5-triazin-2-yl]oxy]benzamide (PubChem CID 122658882) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[[4-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,5-triazin-2-yl]oxy]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[4-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,5-triazin-2-yl]oxy]benzamide
PubChem CID122658882
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC NameN,N-dimethyl-4-[[4-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,5-triazin-2-yl]oxy]benzamide
SMILESCN(C)C(=O)c1ccc(Oc2nc(-c3ccnc4[nH]ccc34)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C23H23N7O3/c1-29(2)21(31)15-3-5-16(6-4-15)33-23-27-20(18-8-10-25-19-17(18)7-9-24-19)26-22(28-23)30-11-13-32-14-12-30/h3-10H,11-14H2,1-2H3,(H,24,25)
InChIKeyOQHLRBUFWDMIIG-UHFFFAOYSA-N
XLogP2.75
TPSA109.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[4-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,5-triazin-2-yl]oxy]benzamide?
The IUPAC name of N,N-dimethyl-4-[[4-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,5-triazin-2-yl]oxy]benzamide (CID 122658882) is N,N-dimethyl-4-[[4-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,5-triazin-2-yl]oxy]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[4-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,5-triazin-2-yl]oxy]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[4-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,5-triazin-2-yl]oxy]benzamide is CN(C)C(=O)c1ccc(Oc2nc(-c3ccnc4[nH]ccc34)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[4-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,5-triazin-2-yl]oxy]benzamide?
The InChIKey is OQHLRBUFWDMIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-29(2)21(31)15-3-5-16(6-4-15)33-23-27-20(18-8-10-25-19-17(18)7-9-24-19)26-22(28-23)30-11-13-32-14-12-30/h3-10H,11-14H2,1-2H3,(H,24,25).
What are the key properties of N,N-dimethyl-4-[[4-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,5-triazin-2-yl]oxy]benzamide?
N,N-dimethyl-4-[[4-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,5-triazin-2-yl]oxy]benzamide has a molecular weight of 445.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[4-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,5-triazin-2-yl]oxy]benzamide is sourced from PubChem (CID 122658882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).